2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

C25H30N4O5S — CID 55468067

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)C2=O
InChIInChI=1S/C25H30N4O5S/c1-3-18-12-14-25(15-13-18)23(31)29(24(32)27-25)16-22(30)26-19-6-8-20(9-7-19)28-35(33,34)21-10-4-17(2)5-11-21/h4-11,18,28H,3,12-16H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyNCYTXSLANYKBLT-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.63
Rot. Bonds7

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55468067) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID55468067
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)C2=O
InChIInChI=1S/C25H30N4O5S/c1-3-18-12-14-25(15-13-18)23(31)29(24(32)27-25)16-22(30)26-19-6-8-20(9-7-19)28-35(33,34)21-10-4-17(2)5-11-21/h4-11,18,28H,3,12-16H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyNCYTXSLANYKBLT-UHFFFAOYSA-N
XLogP3.63
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180851
N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 55456770
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119515474
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119515473
N-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]hexanamide
CID 7180897
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
dimethyl 5-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 2443504
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 55468067) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is NCYTXSLANYKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-3-18-12-14-25(15-13-18)23(31)29(24(32)27-25)16-22(30)26-19-6-8-20(9-7-19)28-35(33,34)21-10-4-17(2)5-11-21/h4-11,18,28H,3,12-16H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 498.61 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55468067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).